N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-4-methyl-N-(pyridin-4-ylmethyl)benzamide

• ChemBase ID: 820982
• Molecular Formular: C29H27FN2O2
• Molecular Mass: 454.5352832
• Monoisotopic Mass: 454.20565633
• SMILES: N(C(=O)c1ccc(cc1)C)(Cc1cc(OCCc2ccc(F)cc2)ccc1)Cc1ccncc1
• Canonical SMILES: Cc1ccc(cc1)C(=O)N(Cc1ccncc1)Cc1cccc(c1)OCCc1ccc(cc1)F
• InChI: InChI=1S/C29H27FN2O2/c1-22-5-9-26(10-6-22)29(33)32(20-24-13-16-31-17-14-24)21-25-3-2-4-28(19-25)34-18-15-23-7-11-27(30)12-8-23/h2-14,16-17,19H,15,18,20-21H2,1H3
• InChIKey: GDBLFNXEUGNGTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-4-methyl-N-(pyridin-4-ylmethyl)benzamide
• IUPAC Traditional name: N-({3-[2-(4-fluorophenyl)ethoxy]phenyl}methyl)-4-methyl-N-(pyridin-4-ylmethyl)benzamide
• Synonyms: N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-4-methyl-N-(4-pyridinylmethyl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.904501
• LogD (pH = 7.4): 6.012479
• Log P: 6.0140986
• Molar Refractivity: 133.0865 cm^3
• Polarizability: 50.417423 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 5.1
• LOG S: -7.15
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 9